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Compound Detail

CHEMBL5630600

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COC(=O)c1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630600
Phase Preclinical
Structure Type MOL
InChI Key LIKPIGJEDISLOA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
1.68
ALogP
7
HBA
2
HBD
120.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O7
MW 410.38
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.80

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2

Data from ChEMBL 36 via Core Engine